azane; 2-(phenylmethoxycarbonylamino)-3-(4-sulfooxyphenyl)propanoic acid

Systemtic Name: azane; 2-(phenylmethoxycarbonylamino)-3-(4-sulfooxyphenyl)propanoic acid Openeye Name: ammonia; 2-(benzyloxycarbonylamino)-3-(4-sulfooxyphenyl)propanoic acid CAS Name: ammonia; 2-(phenylmethoxycarbonylamino)-3-(4-sulfooxyphenyl)propanoic acid IUPAC Name: azane; 2-(phenylmethoxycarbonylamino)-3-(4-sulfooxyphenyl)propanoic acid Traditional Name: ammonia; 2-(benzyloxycarbonylamino)-3-(4-sulfoxyphenyl)propionic acid Formula: C17H20N2O8S MolecularWeight: 412.4143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)O.N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)O.N

InChI

InChI=1S/C17H17NO8S.H3N/c19-16(20)15(18-17(21)25-11-13-4-2-1-3-5-13)10-12-6-8-14(9-7-12)26-27(22,23)24;/h1-9,15H,10-11H2,(H,18,21)(H,19,20)(H,22,23,24);1H3